[ERROR][NetCDF] Invalid argument

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[ERROR][NetCDF] Invalid argument

Postby xixi » Wed Jul 15, 2015 8:59 am

Dear all,

I have compiled the version 4.0.1 with netcdf, when I using p2y to generate the db file from QE(V5.0.3) output, the erro message is like

<02s> :: XC potential : Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)
<02s> :: Atomic species : 2
<02s> :: Max atoms/species : 4
<02s> == DB1 (Gvecs and more) ...
[ERROR][NetCDF] Invalid argument


so could any one provides some advice?
Thanks very much !

SSC
NUS
Singapore
xixi
 
Posts: 30
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Re: [ERROR][NetCDF] Invalid argument

Postby Daniele Varsano » Wed Jul 15, 2015 9:32 am

Dear Xixi,
in order to spot the problem, please post your config.log file together with your input/output of qe.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Daniele Varsano
 
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Re: [ERROR][NetCDF] Invalid argument

Postby xixi » Wed Jul 15, 2015 10:45 am

Dear Daniele
this is the configure states, maybe this is due to the lack of HDF5 support?

# [ I ] IOTK : -liotk (QE 5.0)
# [ - ] ETSF_IO:
# [ E ] NETCDF : -L/home/ssc/soft/netcdf4/lib -lnetcdf (With large files support)
# [ - ] HDF5 :



for the QE , I didn't compile it with netcdf nor hdf5


Program PWSCF v.5.0.2 starts on 8Jul2015 at 13: 9: 5



Thanks !


Daniele Varsano wrote:Dear Xixi,
in order to spot the problem, please post your config.log file together with your input/output of qe.
Best,
Daniele
xixi
 
Posts: 30
Joined: Tue Mar 24, 2009 1:08 pm

Re: [ERROR][NetCDF] Invalid argument

Postby Daniele Varsano » Wed Jul 15, 2015 10:53 am

Dear Xixi,
when you have configured the code, you should have a file named config.log
You should upload the entire file.
Please fill your signature with your complete affiliation, you can do it once for all by filling it in your profile.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Daniele Varsano
 
Posts: 1985
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Re: [ERROR][NetCDF] Invalid argument

Postby andrea marini » Wed Jul 15, 2015 4:36 pm

I would also suggest to swicth off the link to the external nectdf library and use the internal library.

Just remove netcdf from the path and check again.

Andrea
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)
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